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CHEBI:175492 - 4'-O-Methyl-(-)-epicatechin-5-O-sulphate

ChEBI IDCHEBI:175492
ChEBI Name4'-O-Methyl-(-)-epicatechin-5-O-sulphate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O7S
Net Charge0
Average Mass352.364
Monoisotopic Mass352.06167
SMILESCOc1ccc(C2Oc3cc(O)cc(S(=O)O)c3CC2O)cc1O
InChIInChI=1S/C16H16O7S/c1-22-13-3-2-8(4-11(13)18)16-12(19)7-10-14(23-16)5-9(17)6-15(10)24(20)21/h2-6,12,16-19H,7H2,1H3,(H,20,21)
InChIKeyHRNHDBYAOGNRGL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4'-O-Methyl-(-)-epicatechin-5-O-sulphate (CHEBI:175492) is a ether (CHEBI:25698)
4'-O-Methyl-(-)-epicatechin-5-O-sulphate (CHEBI:175492) is a flavonoids (CHEBI:72544)
IUPAC Name 
3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-5-sulinic acid
Manual XrefsDatabases
74849513ChemSpider
HMDB0127870HMDB